2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate

C16H13N4O3- — CID 7200380

IUPAC2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate
SMILESO=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1
InChIKeyRBOVUUFALDIUJI-UHFFFAOYSA-M
MW309.31 g/mol
LogP0.67
Rot. Bonds6

About 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate

2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate (PubChem CID 7200380) has the molecular formula C16H13N4O3- and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate
PubChem CID7200380
Molecular FormulaC16H13N4O3-
Molecular Weight309.31 g/mol
Exact Mass309.10
IUPAC Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate
SMILESO=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1
InChIKeyRBOVUUFALDIUJI-UHFFFAOYSA-M
XLogP0.67
TPSA92.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3909983
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
4-phenylmethoxybenzoic acid
CID 68896574
5-(4-phenylmethoxyphenyl)-2-propan-2-yltetrazole;5-(4-phenylmethoxyphenyl)-2H-tetrazole
CID 159213434
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate?
The IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate (CID 7200380) is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate is O=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate?
The InChIKey is RBOVUUFALDIUJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1.
What are the key properties of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate?
2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate has a molecular weight of 309.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 7200380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).